CID 3004633

Nsc658911

Structural Information

Molecular Formula
C7H8N4OS
SMILES
C1CN(C(=S)N1)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C7H8N4OS/c8-3-5(6(9)12)4-11-2-1-10-7(11)13/h4H,1-2H2,(H2,9,12)(H,10,13)/b5-4+
InChIKey
GLOWNIZLLYWTEH-SNAWJCMRSA-N
Compound name
(E)-2-cyano-3-(2-sulfanylideneimidazolidin-1-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.04189 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 147.6
[M+Na]+ 219.03111 155.5
[M-H]- 195.03461 146.7
[M+NH4]+ 214.07571 163.1
[M+K]+ 235.00505 152.6
[M+H-H2O]+ 179.03915 134.0
[M+HCOO]- 241.04009 157.3
[M+CH3COO]- 255.05574 192.2
[M+Na-2H]- 217.01656 145.2
[M]+ 196.04134 138.0
[M]- 196.04244 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.